Inorganic Solid Phases

di-fts, 40 wt.% (CaMg0.75Fe0.25Si2O6) Crystal Structure

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General Information

  • Phase Label(s): CaMg0.75Fe0.25Si2O6
  • Structure Class(es): –
  • Classification by Properties: antiferromagnet AFM
  • Mineral Name(s): diopside/hedenbergite
  • Pearson Symbol: mS40
  • Space Group: 15
  • Phase Prototype: CaMgSi2O6
  • Measurement Detail(s): automatic diffractometer (determination of cell parameters), automatic diffractometer; Siemens D500 (determination of structural parameters), X-rays, Cu Kα (determination of cell and structural parameters)
  • Phase Class(es): –
  • Compound Class(es): silicate
  • Interpretation Detail(s): complete structure determined; composition dependence studied, Rietveld refinement, RP = 0.0921; wRP = 0.1175; RB = 0.0460
  • Sample Detail(s): clinopyroxene sample from synthetic, sample prepared from CaCO3, MgO, Fe2O3 (hematite), SiO2, trace amounts of hematite and glass, powder (determination of cell and structural parameters)

Substance Summary

  • Standard Formula: CaMg0.66Fe0.68Si1.66O6
  • Alphabetic Formula: CaFe0.68Mg0.66O6Si1.66
  • Published Formula: di-fts, 40 wt.%
  • Refined Formula: CaFe0.76Mg0.64O6Si1.60
  • Wyckoff Sequence: 15,f4e2
  • Z Formula Units: 4
  • Density: ρ = 3.52 Mg·m−3
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Crystallographic Data

Cell Parameters

Published Data
Standardized Data
Unit Cell
Niggli-Reduced Cell
Space Group
a
b
c
α
β
γ
a/b
b/c
c/a
V

Atom Coordinates

Standardized

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation
Co-ord. No.
Atomic Env.

Published

Site
Element
Wyckoff Symbol
Symmetry
X
Y
Z
Occupation

Displacement Parameters

Isotropic

Site
Published
B [nm2]
Type
Computed
Beq [nm2]

Experimental Details

Reference

3D Interactive Structure

About this content

  • Database name

    PAULING FILE Multinaries Edition – 2012

  • Dataset ID

    sd_1601646

  • Copyright

    ©Springer & Material Phases Data System (MPDS), Switzerland & National Institute for Materials Science (NIMS), Japan, 2016

  • Chief Editor

    Pierre Villars, Material Phases Data System (MPDS), CH-6354 Vitznau, Switzerland

    villars.mpds@bluewin.ch

  • Credits

    SpringerMaterials Release 2016.

    Data generated pre-2002: © Springer & MPDS & NIMS; post-2001: © Springer & MPDS

    All Rights Reserved. Version 2016.10.

    Project Coordinator: Shuichi Iwata

    Section-Editor: Karin Cenzual (Crystal Structures)

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